data_6505 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Conserved Protein from the Gene Locus Mm1357 of Methanosarcina Mazei. Northeast Structural Genomics Target Mar30 ; _BMRB_accession_number 6505 _BMRB_flat_file_name bmr6505.str _Entry_type new _Submission_date 2005-02-17 _Accession_date 2005-02-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rossi P. . . 2 Aramini J. M. . 3 Swapna G. V.T. . 4 Huang Y. P. . 5 Xiao R. . . 6 Ho C. K. . 7 Ma L. C. . 8 Acton T. B. . 9 Montelione G. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 392 "13C chemical shifts" 304 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-02 update BMRB 'added time domain data' 2008-07-01 update BMRB 'update entry citation' 2005-12-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Microgram-scale protein structure determination by NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17496898 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aramini James M. . 2 Rossi Paolo . . 3 Anklin Clemens . . 4 Xiao Rong . . 5 Montelione Gaetano T. . stop_ _Journal_abbreviation 'Nature Methods' _Journal_volume 4 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 491 _Page_last 493 _Year 2007 _Details . loop_ _Keyword MaR30 'NMR Structure' Autostructure 'Northeast Structural Genomics' PSI 'Protein Structure Initiative' 'Northeast Structural Genomics Consortium' NESG stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref-2 _Saveframe_category citation _Citation_full ; Delaglio F., Grzesiek S., Vuister G.W., Zhu G., Pfeifer J., Bax A. J. Biomol. NMR. (1995) 6, 277-293. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_MM1357 _Saveframe_category molecular_system _Mol_system_name 'hypothetical protein MM1357' _Abbreviation_common MM1357 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hypothetical protein MM1357' $MM1357 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MM1357 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MM1357 _Abbreviation_common MM1357 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; MFREESRSVPVEEGEVYDVT IQDIARQGDGIARIEGFVIF VPGTKVGDEVRIKVERVLPK FAFASVVE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 ARG 4 GLU 5 GLU 6 SER 7 ARG 8 SER 9 VAL 10 PRO 11 VAL 12 GLU 13 GLU 14 GLY 15 GLU 16 VAL 17 TYR 18 ASP 19 VAL 20 THR 21 ILE 22 GLN 23 ASP 24 ILE 25 ALA 26 ARG 27 GLN 28 GLY 29 ASP 30 GLY 31 ILE 32 ALA 33 ARG 34 ILE 35 GLU 36 GLY 37 PHE 38 VAL 39 ILE 40 PHE 41 VAL 42 PRO 43 GLY 44 THR 45 LYS 46 VAL 47 GLY 48 ASP 49 GLU 50 VAL 51 ARG 52 ILE 53 LYS 54 VAL 55 GLU 56 ARG 57 VAL 58 LEU 59 PRO 60 LYS 61 PHE 62 ALA 63 PHE 64 ALA 65 SER 66 VAL 67 VAL 68 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YEZ "Solution Structure Of The Conserved Protein From The Gene Locus Mm1357 Of Methanosarcina Mazei. Northeast Structural Genomics T" 100.00 68 100.00 100.00 1.83e-37 GB AAM03512 "conserved hypothetical protein [Methanosarcina acetivorans C2A]" 100.00 71 100.00 100.00 1.94e-37 GB AAM31053 "conserved protein [Methanosarcina mazei Go1]" 100.00 68 100.00 100.00 1.83e-37 GB AAZ69994 "conserved hypothetical protein [Methanosarcina barkeri str. Fusaro]" 100.00 68 98.53 100.00 3.22e-37 GB AAZ69995 "conserved hypothetical protein [Methanosarcina barkeri str. Fusaro]" 100.00 68 100.00 100.00 1.83e-37 REF NP_615032 "hypothetical protein MA0058 [Methanosarcina acetivorans C2A]" 100.00 71 100.00 100.00 1.94e-37 REF NP_633381 "hypothetical protein MM_1357 [Methanosarcina mazei Go1]" 100.00 68 100.00 100.00 1.83e-37 REF WP_011020117 "deoxyribonuclease [Methanosarcina acetivorans]" 100.00 71 100.00 100.00 1.94e-37 REF WP_011033303 "MULTISPECIES: deoxyribonuclease [Methanosarcina]" 100.00 68 100.00 100.00 1.83e-37 REF WP_011306043 "deoxyribonuclease [Methanosarcina barkeri]" 100.00 68 98.53 100.00 3.22e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MM1357 'Methanosarcina mazei' 2209 Archaea . Methanosarcina mazei stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MM1357 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MM1357 2 mM '[U-13C; U-15N]' NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . D2O 5 % . H2O 95 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MM1357 0.56 mM '[U-13C; U-15N]' NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MM1357 0.78 mM '[U-5% 13C; U-15N]' NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Task collection stop_ _Details Varian save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Task collection stop_ _Details 'Bruker Biospin' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details Delaglio save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.91 loop_ _Task 'data analysis' stop_ _Details Goddard save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 1.14 loop_ _Task 'data analysis' stop_ _Details 'Zimmerman, Moseley, Montelione.' save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1.0 loop_ _Task refinement stop_ _Details 'Huang, Montelione.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_(aliph)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (aliph)' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_Hi-res_CH-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Hi-res CH-HSQC' _Sample_label . save_ save_HcCH-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HcCH-COSY _Sample_label . save_ save_Hi-res_CH-HSQC_(stereo_V_and_L_Meth.)_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'Hi-res CH-HSQC (stereo V and L Meth.)' _Sample_label . save_ save_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HCCH-TOCSY_(aliph)_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-TOCSY (aliph)' _Sample_label . save_ save_HCCH-TOCSY_(arom)_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-TOCSY (arom)' _Sample_label . save_ save_HNCOCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label . save_ save_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HBHANH_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _Sample_label . save_ save_HNCOCA_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HBHACONH_14 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_HNCACO_15 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label . save_ save_HNCACB_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_3D_13C-separated_NOESY_(arom)_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (arom)' _Sample_label . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (aliph)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'Hi-res CH-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name HcCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'Hi-res CH-HSQC (stereo V and L Meth.)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-TOCSY (aliph)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH-TOCSY (arom)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_12 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_14 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_15 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY (arom)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 293 . K 'ionic strength' 100 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical external parallel $ref-2 DSS C 13 'methyl protons' ppm 0.00 external indirect cylindrical external parallel $ref-2 DSS N 15 'methyl protons' ppm 0.00 external indirect cylindrical external parallel $ref-2 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'hypothetical protein MM1357' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HE H 2.113 0.02 1 2 . 1 MET CE C 17.070 0.1 1 3 . 2 PHE HA H 4.689 0.02 1 4 . 2 PHE HB2 H 3.124 0.02 2 5 . 2 PHE HB3 H 3.126 0.02 2 6 . 2 PHE C C 175.077 0.1 1 7 . 2 PHE CA C 58.297 0.1 1 8 . 2 PHE CB C 39.802 0.1 1 9 . 2 PHE CD1 C 131.75 0.1 1 10 . 2 PHE CD2 C 131.75 0.1 1 11 . 2 PHE HD1 H 7.312 0.02 1 12 . 2 PHE HD2 H 7.312 0.02 1 13 . 2 PHE HE1 H 7.396 0.02 1 14 . 2 PHE HE2 H 7.396 0.02 1 15 . 2 PHE CE1 C 131.75 0.1 1 16 . 2 PHE CE2 C 131.75 0.1 1 17 . 3 ARG H H 8.310 0.02 1 18 . 3 ARG HA H 4.289 0.02 1 19 . 3 ARG HB2 H 1.800 0.02 2 20 . 3 ARG HB3 H 1.697 0.02 2 21 . 3 ARG HG2 H 1.551 0.02 2 22 . 3 ARG HG3 H 1.550 0.02 2 23 . 3 ARG HD2 H 3.191 0.02 2 24 . 3 ARG HD3 H 3.195 0.02 2 25 . 3 ARG C C 175.452 0.1 1 26 . 3 ARG CA C 56.005 0.1 1 27 . 3 ARG CB C 31.385 0.1 1 28 . 3 ARG CG C 27.285 0.1 1 29 . 3 ARG CD C 43.555 0.1 1 30 . 3 ARG N N 124.615 0.1 1 31 . 4 GLU H H 8.514 0.02 1 32 . 4 GLU HA H 4.222 0.02 1 33 . 4 GLU HB2 H 2.083 0.02 2 34 . 4 GLU HB3 H 1.972 0.02 2 35 . 4 GLU HG2 H 2.309 0.02 2 36 . 4 GLU HG3 H 2.307 0.02 2 37 . 4 GLU C C 176.592 0.1 1 38 . 4 GLU CA C 56.993 0.1 1 39 . 4 GLU CB C 30.375 0.1 1 40 . 4 GLU CG C 36.432 0.1 1 41 . 4 GLU N N 123.225 0.1 1 42 . 5 GLU H H 8.620 0.02 1 43 . 5 GLU HA H 4.313 0.02 1 44 . 5 GLU HB2 H 2.096 0.02 2 45 . 5 GLU HB3 H 1.977 0.02 2 46 . 5 GLU HG2 H 2.310 0.02 2 47 . 5 GLU HG3 H 2.306 0.02 2 48 . 5 GLU C C 176.572 0.1 1 49 . 5 GLU CA C 56.959 0.1 1 50 . 5 GLU CB C 30.435 0.1 1 51 . 5 GLU CG C 36.430 0.1 1 52 . 5 GLU N N 122.412 0.1 1 53 . 6 SER H H 8.401 0.02 1 54 . 6 SER HA H 4.458 0.02 1 55 . 6 SER HB2 H 3.880 0.02 2 56 . 6 SER HB3 H 3.882 0.02 2 57 . 6 SER C C 174.405 0.1 1 58 . 6 SER CA C 58.602 0.1 1 59 . 6 SER CB C 63.898 0.1 1 60 . 6 SER N N 117.203 0.1 1 61 . 7 ARG H H 8.390 0.02 1 62 . 7 ARG HA H 4.458 0.02 1 63 . 7 ARG HB2 H 1.791 0.02 2 64 . 7 ARG HB3 H 1.924 0.02 2 65 . 7 ARG HG2 H 1.665 0.02 2 66 . 7 ARG HG3 H 1.669 0.02 2 67 . 7 ARG HD2 H 3.229 0.02 2 68 . 7 ARG HD3 H 3.225 0.02 2 69 . 7 ARG C C 176.303 0.1 1 70 . 7 ARG CA C 56.094 0.1 1 71 . 7 ARG CB C 31.241 0.1 1 72 . 7 ARG CG C 27.200 0.1 1 73 . 7 ARG CD C 43.668 0.1 1 74 . 7 ARG N N 123.320 0.1 1 75 . 8 SER H H 8.513 0.02 1 76 . 8 SER HA H 4.458 0.02 1 77 . 8 SER HB2 H 3.871 0.02 2 78 . 8 SER HB3 H 3.874 0.02 2 79 . 8 SER C C 174.085 0.1 1 80 . 8 SER CA C 58.794 0.1 1 81 . 8 SER CB C 63.931 0.1 1 82 . 8 SER N N 118.300 0.1 1 83 . 9 VAL H H 8.023 0.02 1 84 . 9 VAL HA H 4.148 0.02 1 85 . 9 VAL HB H 1.640 0.02 1 86 . 9 VAL HG1 H 0.612 0.02 1 87 . 9 VAL HG2 H 0.806 0.02 1 88 . 9 VAL C C 175.876 0.1 1 89 . 9 VAL CA C 59.439 0.1 1 90 . 9 VAL CB C 32.775 0.1 1 91 . 9 VAL CG1 C 21.699 0.1 1 92 . 9 VAL CG2 C 20.478 0.1 1 93 . 9 VAL N N 122.142 0.1 1 94 . 10 PRO HA H 4.359 0.02 1 95 . 10 PRO HB2 H 2.053 0.02 2 96 . 10 PRO HB3 H 1.786 0.02 2 97 . 10 PRO HG2 H 2.143 0.02 2 98 . 10 PRO HG3 H 1.531 0.02 2 99 . 10 PRO HD2 H 3.560 0.02 2 100 . 10 PRO HD3 H 2.701 0.02 2 101 . 10 PRO C C 175.440 0.1 1 102 . 10 PRO CA C 64.464 0.1 1 103 . 10 PRO CB C 32.393 0.1 1 104 . 10 PRO CG C 27.518 0.1 1 105 . 10 PRO CD C 50.761 0.1 1 106 . 11 VAL H H 6.202 0.02 1 107 . 11 VAL HA H 4.845 0.02 1 108 . 11 VAL HB H 1.829 0.02 1 109 . 11 VAL HG2 H 0.451 0.02 1 110 . 11 VAL HG1 H 0.367 0.02 1 111 . 11 VAL C C 173.256 0.1 1 112 . 11 VAL CA C 58.412 0.1 1 113 . 11 VAL CB C 35.455 0.1 1 114 . 11 VAL CG2 C 18.936 0.1 1 115 . 11 VAL CG1 C 22.531 0.1 1 116 . 11 VAL N N 107.845 0.1 1 117 . 12 GLU H H 7.943 0.02 1 118 . 12 GLU HA H 4.524 0.02 1 119 . 12 GLU HB2 H 1.722 0.02 2 120 . 12 GLU HB3 H 1.970 0.02 2 121 . 12 GLU HG2 H 2.203 0.02 2 122 . 12 GLU HG3 H 2.200 0.02 2 123 . 12 GLU C C 175.182 0.1 1 124 . 12 GLU CA C 54.276 0.1 1 125 . 12 GLU CB C 33.866 0.1 1 126 . 12 GLU CG C 36.215 0.1 1 127 . 12 GLU N N 118.615 0.1 1 128 . 13 GLU H H 8.852 0.02 1 129 . 13 GLU HA H 3.612 0.02 1 130 . 13 GLU HB2 H 1.991 0.02 2 131 . 13 GLU HB3 H 1.973 0.02 2 132 . 13 GLU HG2 H 2.403 0.02 2 133 . 13 GLU HG3 H 2.156 0.02 2 134 . 13 GLU C C 177.357 0.1 1 135 . 13 GLU CA C 58.882 0.1 1 136 . 13 GLU CB C 29.546 0.1 1 137 . 13 GLU CG C 37.576 0.1 1 138 . 13 GLU N N 121.932 0.1 1 139 . 14 GLY H H 9.262 0.02 1 140 . 14 GLY HA2 H 4.436 0.02 2 141 . 14 GLY HA3 H 3.573 0.02 2 142 . 14 GLY C C 173.820 0.1 1 143 . 14 GLY CA C 45.449 0.1 1 144 . 14 GLY N N 113.295 0.1 1 145 . 15 GLU H H 7.554 0.02 1 146 . 15 GLU HA H 4.322 0.02 1 147 . 15 GLU HB2 H 2.307 0.02 2 148 . 15 GLU HB3 H 1.868 0.02 2 149 . 15 GLU HG2 H 2.312 0.02 2 150 . 15 GLU HG3 H 2.077 0.02 2 151 . 15 GLU C C 174.468 0.1 1 152 . 15 GLU CA C 56.098 0.1 1 153 . 15 GLU CB C 31.948 0.1 1 154 . 15 GLU CG C 37.547 0.1 1 155 . 15 GLU N N 120.190 0.1 1 156 . 16 VAL H H 7.843 0.02 1 157 . 16 VAL HA H 5.556 0.02 1 158 . 16 VAL HB H 1.705 0.02 1 159 . 16 VAL HG1 H 0.844 0.02 2 160 . 16 VAL HG2 H 0.843 0.02 2 161 . 16 VAL C C 175.852 0.1 1 162 . 16 VAL CA C 59.824 0.1 1 163 . 16 VAL CB C 34.339 0.1 1 164 . 16 VAL CG1 C 21.089 0.1 2 165 . 16 VAL CG2 C 21.095 0.1 2 166 . 16 VAL N N 118.532 0.1 1 167 . 17 TYR H H 8.766 0.02 1 168 . 17 TYR HA H 4.752 0.02 1 169 . 17 TYR HB2 H 2.993 0.02 2 170 . 17 TYR HB3 H 2.210 0.02 2 171 . 17 TYR HE1 H 6.787 0.02 1 172 . 17 TYR HE2 H 6.787 0.02 1 173 . 17 TYR HD1 H 6.948 0.02 1 174 . 17 TYR HD2 H 6.948 0.02 1 175 . 17 TYR C C 173.724 0.1 1 176 . 17 TYR CA C 56.997 0.1 1 177 . 17 TYR CB C 44.014 0.1 1 178 . 17 TYR CE1 C 118.420 0.1 1 179 . 17 TYR CE2 C 118.420 0.1 1 180 . 17 TYR CD1 C 133.321 0.1 1 181 . 17 TYR CD2 C 133.321 0.1 1 182 . 17 TYR N N 121.802 0.1 1 183 . 18 ASP H H 8.779 0.02 1 184 . 18 ASP HA H 5.510 0.02 1 185 . 18 ASP HB2 H 2.638 0.02 2 186 . 18 ASP HB3 H 2.576 0.02 2 187 . 18 ASP C C 176.120 0.1 1 188 . 18 ASP CA C 54.706 0.1 1 189 . 18 ASP CB C 41.896 0.1 1 190 . 18 ASP N N 122.928 0.1 1 191 . 19 VAL H H 9.040 0.02 1 192 . 19 VAL HA H 5.016 0.02 1 193 . 19 VAL HB H 2.202 0.02 1 194 . 19 VAL HG1 H 0.756 0.02 1 195 . 19 VAL HG2 H 0.646 0.02 1 196 . 19 VAL C C 174.733 0.1 1 197 . 19 VAL CA C 59.138 0.1 1 198 . 19 VAL CB C 36.836 0.1 1 199 . 19 VAL CG1 C 21.799 0.1 1 200 . 19 VAL CG2 C 19.116 0.1 1 201 . 19 VAL N N 115.509 0.1 1 202 . 20 THR H H 8.130 0.02 1 203 . 20 THR HA H 5.354 0.02 1 204 . 20 THR HB H 3.905 0.02 1 205 . 20 THR HG2 H 1.110 0.02 1 206 . 20 THR C C 174.681 0.1 1 207 . 20 THR CA C 61.119 0.1 1 208 . 20 THR CB C 70.584 0.1 1 209 . 20 THR CG2 C 21.571 0.1 1 210 . 20 THR N N 116.340 0.1 1 211 . 21 ILE H H 9.022 0.02 1 212 . 21 ILE HA H 4.082 0.02 1 213 . 21 ILE HB H 2.522 0.02 1 214 . 21 ILE HG12 H 1.833 0.02 2 215 . 21 ILE HG13 H 1.494 0.02 2 216 . 21 ILE HG2 H 0.879 0.02 1 217 . 21 ILE HD1 H 0.519 0.02 1 218 . 21 ILE C C 177.433 0.1 1 219 . 21 ILE CA C 59.640 0.1 1 220 . 21 ILE CB C 34.250 0.1 1 221 . 21 ILE CG1 C 25.799 0.1 1 222 . 21 ILE CG2 C 17.740 0.1 1 223 . 21 ILE CD1 C 9.182 0.1 1 224 . 21 ILE N N 127.525 0.1 1 225 . 22 GLN H H 9.099 0.02 1 226 . 22 GLN HA H 4.579 0.02 1 227 . 22 GLN HB2 H 2.232 0.02 2 228 . 22 GLN HB3 H 1.895 0.02 2 229 . 22 GLN HG2 H 2.497 0.02 2 230 . 22 GLN HG3 H 2.481 0.02 2 231 . 22 GLN HE21 H 7.640 0.02 2 232 . 22 GLN HE22 H 7.011 0.02 2 233 . 22 GLN C C 174.552 0.1 1 234 . 22 GLN CA C 56.908 0.1 1 235 . 22 GLN CB C 32.327 0.1 1 236 . 22 GLN CG C 33.938 0.1 1 237 . 22 GLN N N 128.004 0.1 1 238 . 22 GLN NE2 N 112.303 0.1 1 239 . 23 ASP H H 7.946 0.02 1 240 . 23 ASP HA H 4.859 0.02 1 241 . 23 ASP HB2 H 2.521 0.02 2 242 . 23 ASP HB3 H 2.514 0.02 2 243 . 23 ASP C C 172.685 0.1 1 244 . 23 ASP CA C 52.977 0.1 1 245 . 23 ASP CB C 45.147 0.1 1 246 . 23 ASP N N 118.006 0.1 1 247 . 24 ILE H H 8.982 0.02 1 248 . 24 ILE HA H 4.740 0.02 1 249 . 24 ILE HB H 1.807 0.02 1 250 . 24 ILE HG12 H 1.372 0.02 2 251 . 24 ILE HG13 H 1.432 0.02 2 252 . 24 ILE HG2 H 0.958 0.02 1 253 . 24 ILE HD1 H 0.861 0.02 1 254 . 24 ILE C C 175.636 0.1 1 255 . 24 ILE CA C 58.740 0.1 1 256 . 24 ILE CB C 39.663 0.1 1 257 . 24 ILE CG1 C 27.099 0.1 1 258 . 24 ILE CG2 C 17.150 0.1 1 259 . 24 ILE CD1 C 11.243 0.1 1 260 . 24 ILE N N 120.052 0.1 1 261 . 25 ALA H H 9.282 0.02 1 262 . 25 ALA HA H 4.467 0.02 1 263 . 25 ALA HB H 1.505 0.02 1 264 . 25 ALA C C 179.136 0.1 1 265 . 25 ALA CA C 51.571 0.1 1 266 . 25 ALA CB C 21.197 0.1 1 267 . 25 ALA N N 129.385 0.1 1 268 . 26 ARG HA H 4.046 0.02 1 269 . 26 ARG HB2 H 1.939 0.02 2 270 . 26 ARG HB3 H 1.844 0.02 2 271 . 26 ARG HG2 H 1.728 0.02 2 272 . 26 ARG HG3 H 1.721 0.02 2 273 . 26 ARG HD2 H 3.269 0.02 2 274 . 26 ARG HD3 H 3.265 0.02 2 275 . 26 ARG C C 177.906 0.1 1 276 . 26 ARG CA C 59.621 0.1 1 277 . 26 ARG CB C 29.955 0.1 1 278 . 26 ARG CG C 27.344 0.1 1 279 . 26 ARG CD C 43.719 0.1 1 280 . 27 GLN H H 8.182 0.02 1 281 . 27 GLN HA H 4.470 0.02 1 282 . 27 GLN HB2 H 2.120 0.02 2 283 . 27 GLN HB3 H 2.125 0.02 2 284 . 27 GLN HG2 H 2.328 0.02 1 285 . 27 GLN HG3 H 2.328 0.02 1 286 . 27 GLN HE21 H 7.530 0.02 2 287 . 27 GLN HE22 H 5.790 0.02 2 288 . 27 GLN C C 176.697 0.1 1 289 . 27 GLN CA C 55.980 0.1 1 290 . 27 GLN CB C 27.172 0.1 1 291 . 27 GLN CG C 33.581 0.1 1 292 . 27 GLN N N 113.454 0.1 1 293 . 27 GLN NE2 N 110.425 0.1 1 294 . 28 GLY H H 7.832 0.02 1 295 . 28 GLY HA2 H 4.476 0.02 2 296 . 28 GLY HA3 H 3.525 0.02 2 297 . 28 GLY C C 174.390 0.1 1 298 . 28 GLY CA C 45.554 0.1 1 299 . 28 GLY N N 107.213 0.1 1 300 . 29 ASP H H 7.414 0.02 1 301 . 29 ASP HA H 4.674 0.02 1 302 . 29 ASP HB2 H 2.609 0.02 2 303 . 29 ASP HB3 H 2.337 0.02 2 304 . 29 ASP C C 175.108 0.1 1 305 . 29 ASP CA C 55.377 0.1 1 306 . 29 ASP CB C 42.025 0.1 1 307 . 29 ASP N N 120.640 0.1 1 308 . 30 GLY H H 7.725 0.02 1 309 . 30 GLY HA2 H 3.938 0.02 2 310 . 30 GLY HA3 H 4.258 0.02 2 311 . 30 GLY C C 172.750 0.1 1 312 . 30 GLY CA C 45.708 0.1 1 313 . 30 GLY N N 109.205 0.1 1 314 . 31 ILE H H 8.493 0.02 1 315 . 31 ILE HA H 4.832 0.02 1 316 . 31 ILE HB H 1.269 0.02 1 317 . 31 ILE HG12 H 1.575 0.02 2 318 . 31 ILE HG13 H 0.830 0.02 2 319 . 31 ILE HG2 H 0.661 0.02 1 320 . 31 ILE HD1 H 0.726 0.02 1 321 . 31 ILE C C 174.904 0.1 1 322 . 31 ILE CA C 61.047 0.1 1 323 . 31 ILE CB C 41.449 0.1 1 324 . 31 ILE CG1 C 28.072 0.1 1 325 . 31 ILE CG2 C 17.563 0.1 1 326 . 31 ILE CD1 C 14.185 0.1 1 327 . 31 ILE N N 120.622 0.1 1 328 . 32 ALA H H 9.237 0.02 1 329 . 32 ALA HA H 4.834 0.02 1 330 . 32 ALA HB H 1.180 0.02 1 331 . 32 ALA C C 174.969 0.1 1 332 . 32 ALA CA C 49.468 0.1 1 333 . 32 ALA CB C 22.431 0.1 1 334 . 32 ALA N N 130.615 0.1 1 335 . 33 ARG H H 8.710 0.02 1 336 . 33 ARG HA H 5.391 0.02 1 337 . 33 ARG HB2 H 1.570 0.02 2 338 . 33 ARG HB3 H 1.141 0.02 2 339 . 33 ARG HG2 H 1.335 0.02 2 340 . 33 ARG HG3 H 1.132 0.02 2 341 . 33 ARG HD2 H 3.075 0.02 2 342 . 33 ARG HD3 H 2.918 0.02 2 343 . 33 ARG C C 176.262 0.1 1 344 . 33 ARG CA C 54.853 0.1 1 345 . 33 ARG CB C 34.821 0.1 1 346 . 33 ARG CG C 29.223 0.1 1 347 . 33 ARG CD C 43.504 0.1 1 348 . 33 ARG N N 116.951 0.1 1 349 . 34 ILE H H 8.207 0.02 1 350 . 34 ILE HA H 4.127 0.02 1 351 . 34 ILE HB H 1.278 0.02 1 352 . 34 ILE HG12 H 1.022 0.02 2 353 . 34 ILE HG13 H 0.855 0.02 2 354 . 34 ILE HG2 H 0.634 0.02 1 355 . 34 ILE HD1 H 0.168 0.02 1 356 . 34 ILE C C 175.140 0.1 1 357 . 34 ILE CA C 60.780 0.1 1 358 . 34 ILE CB C 40.328 0.1 1 359 . 34 ILE CG1 C 27.134 0.1 1 360 . 34 ILE CG2 C 17.003 0.1 1 361 . 34 ILE CD1 C 12.708 0.1 1 362 . 34 ILE N N 122.922 0.1 1 363 . 35 GLU H H 9.387 0.02 1 364 . 35 GLU HA H 3.845 0.02 1 365 . 35 GLU HB2 H 2.257 0.02 2 366 . 35 GLU HB3 H 1.976 0.02 2 367 . 35 GLU HG2 H 2.305 0.02 2 368 . 35 GLU HG3 H 2.249 0.02 2 369 . 35 GLU C C 176.849 0.1 1 370 . 35 GLU CA C 57.066 0.1 1 371 . 35 GLU CB C 27.623 0.1 1 372 . 35 GLU CG C 36.212 0.1 1 373 . 35 GLU N N 126.123 0.1 1 374 . 36 GLY H H 8.456 0.02 1 375 . 36 GLY HA2 H 4.257 0.02 2 376 . 36 GLY HA3 H 3.517 0.02 2 377 . 36 GLY C C 172.488 0.1 1 378 . 36 GLY CA C 45.687 0.1 1 379 . 36 GLY N N 103.777 0.1 1 380 . 37 PHE H H 8.322 0.02 1 381 . 37 PHE HA H 4.550 0.02 1 382 . 37 PHE HB2 H 3.215 0.02 2 383 . 37 PHE HB3 H 2.853 0.02 2 384 . 37 PHE C C 174.611 0.1 1 385 . 37 PHE CA C 58.048 0.1 1 386 . 37 PHE CB C 41.800 0.1 1 387 . 37 PHE N N 126.940 0.1 1 388 . 37 PHE CD1 C 131.68 0.1 1 389 . 37 PHE CD2 C 131.68 0.1 1 390 . 37 PHE CE1 C 131.32 0.1 1 391 . 37 PHE CE2 C 131.32 0.1 1 392 . 37 PHE HD1 H 7.022 0.02 1 393 . 37 PHE HD2 H 7.022 0.02 1 394 . 37 PHE HE1 H 7.103 0.02 1 395 . 37 PHE HE2 H 7.103 0.02 1 396 . 37 PHE CZ C 130.275 0.1 1 397 . 37 PHE HZ H 7.339 0.02 1 398 . 38 VAL H H 7.590 0.02 1 399 . 38 VAL HA H 3.554 0.02 1 400 . 38 VAL HB H 1.534 0.02 1 401 . 38 VAL HG2 H 0.834 0.02 1 402 . 38 VAL HG1 H 0.082 0.02 1 403 . 38 VAL C C 172.990 0.1 1 404 . 38 VAL CA C 64.586 0.1 1 405 . 38 VAL CB C 32.869 0.1 1 406 . 38 VAL CG2 C 23.188 0.1 1 407 . 38 VAL CG1 C 21.035 0.1 1 408 . 38 VAL N N 128.609 0.1 1 409 . 39 ILE H H 8.634 0.02 1 410 . 39 ILE HA H 4.286 0.02 1 411 . 39 ILE HB H 1.495 0.02 1 412 . 39 ILE HG12 H 1.462 0.02 2 413 . 39 ILE HG13 H 0.956 0.02 2 414 . 39 ILE HG2 H 0.601 0.02 1 415 . 39 ILE HD1 H 0.601 0.02 1 416 . 39 ILE C C 174.927 0.1 1 417 . 39 ILE CA C 58.759 0.1 1 418 . 39 ILE CB C 40.419 0.1 1 419 . 39 ILE CG1 C 27.484 0.1 1 420 . 39 ILE CG2 C 19.687 0.1 1 421 . 39 ILE CD1 C 15.194 0.1 1 422 . 39 ILE N N 125.811 0.1 1 423 . 40 PHE H H 8.844 0.02 1 424 . 40 PHE HA H 5.363 0.02 1 425 . 40 PHE HB2 H 3.116 0.02 2 426 . 40 PHE HB3 H 2.744 0.02 2 427 . 40 PHE C C 176.551 0.1 1 428 . 40 PHE CA C 56.853 0.1 1 429 . 40 PHE CB C 40.475 0.1 1 430 . 40 PHE N N 125.593 0.1 1 431 . 40 PHE CD1 C 130.941 0.1 1 432 . 40 PHE CD2 C 130.941 0.1 1 433 . 40 PHE CE1 C 130.80 0.1 1 434 . 40 PHE CE2 C 130.80 0.1 1 435 . 40 PHE HD1 H 6.560 0.02 1 436 . 40 PHE HD2 H 6.560 0.02 1 437 . 40 PHE HE1 H 6.360 0.02 1 438 . 40 PHE HE2 H 6.360 0.02 1 439 . 40 PHE CZ C 129.447 0.1 1 440 . 40 PHE HZ H 6.793 0.02 1 441 . 41 VAL H H 9.572 0.02 1 442 . 41 VAL HA H 4.892 0.02 1 443 . 41 VAL HB H 2.017 0.02 1 444 . 41 VAL HG1 H 0.750 0.02 1 445 . 41 VAL HG2 H 0.690 0.02 1 446 . 41 VAL C C 174.210 0.1 1 447 . 41 VAL CA C 58.977 0.1 1 448 . 41 VAL CB C 32.391 0.1 1 449 . 41 VAL CG1 C 24.284 0.1 1 450 . 41 VAL CG2 C 20.733 0.1 1 451 . 41 VAL N N 122.210 0.1 1 452 . 42 PRO HA H 4.636 0.02 1 453 . 42 PRO HB2 H 2.524 0.02 2 454 . 42 PRO HB3 H 1.980 0.02 2 455 . 42 PRO HG2 H 2.236 0.02 2 456 . 42 PRO HG3 H 2.176 0.02 2 457 . 42 PRO HD2 H 3.998 0.02 2 458 . 42 PRO HD3 H 4.269 0.02 2 459 . 42 PRO C C 177.423 0.1 1 460 . 42 PRO CA C 64.188 0.1 1 461 . 42 PRO CB C 33.055 0.1 1 462 . 42 PRO CG C 27.664 0.1 1 463 . 42 PRO CD C 52.088 0.1 1 464 . 43 GLY H H 8.826 0.02 1 465 . 43 GLY HA2 H 4.142 0.02 2 466 . 43 GLY HA3 H 3.935 0.02 2 467 . 43 GLY C C 175.026 0.1 1 468 . 43 GLY CA C 46.624 0.1 1 469 . 43 GLY N N 109.439 0.1 1 470 . 44 THR H H 7.497 0.02 1 471 . 44 THR HA H 4.713 0.02 1 472 . 44 THR HB H 4.365 0.02 1 473 . 44 THR HG2 H 1.101 0.02 1 474 . 44 THR C C 173.330 0.1 1 475 . 44 THR CA C 60.070 0.1 1 476 . 44 THR CB C 73.446 0.1 1 477 . 44 THR CG2 C 23.792 0.1 1 478 . 44 THR N N 107.233 0.1 1 479 . 45 LYS H H 8.801 0.02 1 480 . 45 LYS HA H 4.650 0.02 1 481 . 45 LYS HB2 H 1.833 0.02 2 482 . 45 LYS HB3 H 1.755 0.02 2 483 . 45 LYS HG2 H 1.523 0.02 2 484 . 45 LYS HG3 H 1.308 0.02 2 485 . 45 LYS HD2 H 1.702 0.02 2 486 . 45 LYS HD3 H 1.704 0.02 2 487 . 45 LYS HE2 H 3.037 0.02 2 488 . 45 LYS HE3 H 3.038 0.02 2 489 . 45 LYS C C 175.450 0.1 1 490 . 45 LYS CA C 54.223 0.1 1 491 . 45 LYS CB C 35.562 0.1 1 492 . 45 LYS CG C 24.193 0.1 1 493 . 45 LYS CD C 29.239 0.1 1 494 . 45 LYS CE C 42.264 0.1 1 495 . 45 LYS N N 119.110 0.1 1 496 . 46 VAL H H 8.229 0.02 1 497 . 46 VAL HA H 3.185 0.02 1 498 . 46 VAL HB H 1.870 0.02 1 499 . 46 VAL HG2 H 0.921 0.02 1 500 . 46 VAL HG1 H 0.888 0.02 1 501 . 46 VAL C C 177.579 0.1 1 502 . 46 VAL CA C 66.289 0.1 1 503 . 46 VAL CB C 31.057 0.1 1 504 . 46 VAL CG2 C 22.965 0.1 1 505 . 46 VAL CG1 C 21.471 0.1 1 506 . 46 VAL N N 119.518 0.1 1 507 . 47 GLY H H 8.892 0.02 1 508 . 47 GLY HA2 H 4.499 0.02 2 509 . 47 GLY HA3 H 3.574 0.02 2 510 . 47 GLY C C 174.614 0.1 1 511 . 47 GLY CA C 44.607 0.1 1 512 . 47 GLY N N 116.505 0.1 1 513 . 48 ASP H H 8.160 0.02 1 514 . 48 ASP HA H 4.528 0.02 1 515 . 48 ASP HB2 H 2.872 0.02 2 516 . 48 ASP HB3 H 2.489 0.02 2 517 . 48 ASP C C 175.072 0.1 1 518 . 48 ASP CA C 56.162 0.1 1 519 . 48 ASP CB C 41.239 0.1 1 520 . 48 ASP N N 122.408 0.1 1 521 . 49 GLU H H 8.561 0.02 1 522 . 49 GLU HA H 5.101 0.02 1 523 . 49 GLU HB2 H 1.993 0.02 2 524 . 49 GLU HB3 H 1.985 0.02 2 525 . 49 GLU HG2 H 2.370 0.02 2 526 . 49 GLU HG3 H 2.337 0.02 2 527 . 49 GLU C C 176.204 0.1 1 528 . 49 GLU CA C 55.760 0.1 1 529 . 49 GLU CB C 29.729 0.1 1 530 . 49 GLU CG C 36.249 0.1 1 531 . 49 GLU N N 124.622 0.1 1 532 . 50 VAL H H 8.516 0.02 1 533 . 50 VAL HA H 4.864 0.02 1 534 . 50 VAL HB H 2.115 0.02 1 535 . 50 VAL HG1 H 0.955 0.02 1 536 . 50 VAL HG2 H 0.761 0.02 1 537 . 50 VAL C C 173.198 0.1 1 538 . 50 VAL CA C 58.959 0.1 1 539 . 50 VAL CB C 36.189 0.1 1 540 . 50 VAL CG1 C 23.682 0.1 1 541 . 50 VAL CG2 C 19.828 0.1 1 542 . 50 VAL N N 117.128 0.1 1 543 . 51 ARG H H 8.683 0.02 1 544 . 51 ARG HA H 5.403 0.02 1 545 . 51 ARG HB2 H 1.807 0.02 2 546 . 51 ARG HB3 H 1.806 0.02 2 547 . 51 ARG HG2 H 1.514 0.02 2 548 . 51 ARG HG3 H 1.381 0.02 2 549 . 51 ARG HD2 H 3.097 0.02 2 550 . 51 ARG HD3 H 2.962 0.02 2 551 . 51 ARG C C 176.034 0.1 1 552 . 51 ARG CA C 55.140 0.1 1 553 . 51 ARG CB C 31.632 0.1 1 554 . 51 ARG CG C 27.900 0.1 1 555 . 51 ARG CD C 43.655 0.1 1 556 . 51 ARG N N 125.516 0.1 1 557 . 52 ILE H H 9.502 0.02 1 558 . 52 ILE HA H 5.510 0.02 1 559 . 52 ILE HB H 1.774 0.02 1 560 . 52 ILE HG12 H 1.193 0.02 2 561 . 52 ILE HG13 H 1.741 0.02 2 562 . 52 ILE HG2 H 0.756 0.02 1 563 . 52 ILE HD1 H 0.619 0.02 1 564 . 52 ILE C C 173.455 0.1 1 565 . 52 ILE CA C 58.396 0.1 1 566 . 52 ILE CB C 42.327 0.1 1 567 . 52 ILE CG1 C 25.599 0.1 1 568 . 52 ILE CG2 C 20.072 0.1 1 569 . 52 ILE CD1 C 15.199 0.1 1 570 . 52 ILE N N 119.205 0.1 1 571 . 53 LYS H H 9.047 0.02 1 572 . 53 LYS HA H 5.207 0.02 1 573 . 53 LYS HB2 H 1.823 0.02 2 574 . 53 LYS HB3 H 1.373 0.02 2 575 . 53 LYS HG2 H 1.118 0.02 2 576 . 53 LYS HG3 H 1.051 0.02 2 577 . 53 LYS HD2 H 1.600 0.02 2 578 . 53 LYS HD3 H 1.597 0.02 2 579 . 53 LYS HE2 H 2.892 0.02 1 580 . 53 LYS HE3 H 2.892 0.02 1 581 . 53 LYS C C 176.852 0.1 1 582 . 53 LYS CA C 54.103 0.1 1 583 . 53 LYS CB C 35.233 0.1 1 584 . 53 LYS CG C 24.605 0.1 1 585 . 53 LYS CD C 29.821 0.1 1 586 . 53 LYS CE C 41.972 0.1 1 587 . 53 LYS N N 121.810 0.1 1 588 . 54 VAL H H 8.923 0.02 1 589 . 54 VAL HA H 3.822 0.02 1 590 . 54 VAL HB H 2.525 0.02 1 591 . 54 VAL HG2 H 1.025 0.02 1 592 . 54 VAL HG1 H 0.794 0.02 1 593 . 54 VAL C C 176.022 0.1 1 594 . 54 VAL CA C 65.320 0.1 1 595 . 54 VAL CB C 31.153 0.1 1 596 . 54 VAL CG2 C 23.057 0.1 1 597 . 54 VAL CG1 C 23.167 0.1 1 598 . 54 VAL N N 127.121 0.1 1 599 . 55 GLU H H 9.492 0.02 1 600 . 55 GLU HA H 4.685 0.02 1 601 . 55 GLU HB2 H 2.202 0.02 2 602 . 55 GLU HB3 H 1.838 0.02 2 603 . 55 GLU HG2 H 2.456 0.02 2 604 . 55 GLU HG3 H 2.454 0.02 2 605 . 55 GLU C C 176.503 0.1 1 606 . 55 GLU CA C 57.393 0.1 1 607 . 55 GLU CB C 31.636 0.1 1 608 . 55 GLU CG C 35.370 0.1 1 609 . 55 GLU N N 130.614 0.1 1 610 . 56 ARG H H 7.724 0.02 1 611 . 56 ARG HA H 4.882 0.02 1 612 . 56 ARG HB2 H 1.950 0.02 2 613 . 56 ARG HB3 H 1.959 0.02 2 614 . 56 ARG HG2 H 1.724 0.02 2 615 . 56 ARG HG3 H 1.713 0.02 2 616 . 56 ARG HD2 H 3.258 0.02 2 617 . 56 ARG HD3 H 3.245 0.02 2 618 . 56 ARG C C 174.518 0.1 1 619 . 56 ARG CA C 55.696 0.1 1 620 . 56 ARG CB C 34.428 0.1 1 621 . 56 ARG CG C 27.607 0.1 1 622 . 56 ARG CD C 43.769 0.1 1 623 . 56 ARG N N 116.992 0.1 1 624 . 57 VAL H H 9.612 0.02 1 625 . 57 VAL HA H 4.303 0.02 1 626 . 57 VAL HB H 2.095 0.02 1 627 . 57 VAL HG1 H 0.979 0.02 1 628 . 57 VAL HG2 H 0.811 0.02 1 629 . 57 VAL C C 173.887 0.1 1 630 . 57 VAL CA C 63.728 0.1 1 631 . 57 VAL CB C 33.325 0.1 1 632 . 57 VAL CG1 C 22.822 0.1 1 633 . 57 VAL CG2 C 23.271 0.1 1 634 . 57 VAL N N 126.603 0.1 1 635 . 58 LEU H H 8.831 0.02 1 636 . 58 LEU HA H 4.887 0.02 1 637 . 58 LEU HB2 H 1.750 0.02 2 638 . 58 LEU HB3 H 1.364 0.02 2 639 . 58 LEU HG H 1.81 0.02 1 640 . 58 LEU HD1 H 1.087 0.02 1 641 . 58 LEU HD2 H 1.050 0.02 1 642 . 58 LEU C C 174.925 0.1 1 643 . 58 LEU CA C 53.723 0.1 1 644 . 58 LEU CB C 39.878 0.1 1 645 . 58 LEU CG C 29.60 0.1 1 646 . 58 LEU CD1 C 24.95 0.1 1 647 . 58 LEU CD2 C 24.90 0.1 1 648 . 58 LEU N N 134.105 0.1 1 649 . 59 PRO HA H 4.245 0.02 1 650 . 59 PRO HB2 H 2.417 0.02 2 651 . 59 PRO HB3 H 1.814 0.02 2 652 . 59 PRO HG2 H 2.157 0.02 2 653 . 59 PRO HG3 H 1.985 0.02 2 654 . 59 PRO HD2 H 3.738 0.02 2 655 . 59 PRO HD3 H 3.667 0.02 2 656 . 59 PRO C C 178.195 0.1 1 657 . 59 PRO CA C 66.650 0.1 1 658 . 59 PRO CB C 32.354 0.1 1 659 . 59 PRO CG C 28.481 0.1 1 660 . 59 PRO CD C 50.526 0.1 1 661 . 60 LYS H H 7.737 0.02 1 662 . 60 LYS HA H 4.525 0.02 1 663 . 60 LYS HB2 H 2.023 0.02 2 664 . 60 LYS HB3 H 1.537 0.02 2 665 . 60 LYS HG2 H 1.422 0.02 2 666 . 60 LYS HG3 H 1.343 0.02 2 667 . 60 LYS HD2 H 1.756 0.02 2 668 . 60 LYS HD3 H 1.696 0.02 2 669 . 60 LYS HE2 H 3.038 0.02 2 670 . 60 LYS HE3 H 3.047 0.02 2 671 . 60 LYS CA C 55.197 0.1 1 672 . 60 LYS CB C 33.991 0.1 1 673 . 60 LYS CG C 25.426 0.1 1 674 . 60 LYS CD C 28.734 0.1 1 675 . 60 LYS CE C 42.315 0.1 1 676 . 60 LYS N N 108.727 0.1 1 677 . 61 PHE H H 7.033 0.02 1 678 . 61 PHE HA H 4.182 0.02 1 679 . 61 PHE HB2 H 3.041 0.02 2 680 . 61 PHE HB3 H 2.475 0.02 2 681 . 61 PHE C C 172.709 0.1 1 682 . 61 PHE CA C 56.161 0.1 1 683 . 61 PHE CB C 39.810 0.1 1 684 . 61 PHE N N 116.106 0.1 1 685 . 61 PHE CD1 C 132.52 0.1 1 686 . 61 PHE CD2 C 132.52 0.1 1 687 . 61 PHE CE1 C 131.42 0.1 1 688 . 61 PHE CE2 C 131.42 0.1 1 689 . 61 PHE HD1 H 6.798 0.02 1 690 . 61 PHE HD2 H 6.798 0.02 1 691 . 61 PHE HE1 H 7.417 0.02 1 692 . 61 PHE HE2 H 7.417 0.02 1 693 . 61 PHE CZ C 129.45 0.1 1 694 . 61 PHE HZ H 7.443 0.02 1 695 . 62 ALA H H 8.617 0.02 1 696 . 62 ALA HA H 5.497 0.02 1 697 . 62 ALA HB H 1.673 0.02 1 698 . 62 ALA C C 174.766 0.1 1 699 . 62 ALA CA C 49.715 0.1 1 700 . 62 ALA CB C 24.985 0.1 1 701 . 62 ALA N N 118.022 0.1 1 702 . 63 PHE H H 9.112 0.02 1 703 . 63 PHE HA H 5.502 0.02 1 704 . 63 PHE HB2 H 3.491 0.02 2 705 . 63 PHE HB3 H 2.967 0.02 2 706 . 63 PHE C C 175.712 0.1 1 707 . 63 PHE CA C 57.706 0.1 1 708 . 63 PHE CB C 42.994 0.1 1 709 . 63 PHE N N 116.824 0.1 1 710 . 63 PHE CD1 C 131.75 0.1 1 711 . 63 PHE CD2 C 131.75 0.1 1 712 . 63 PHE HD1 H 7.400 0.02 1 713 . 63 PHE HD2 H 7.400 0.02 1 714 . 64 ALA H H 9.151 0.02 1 715 . 64 ALA HA H 5.405 0.02 1 716 . 64 ALA HB H 1.381 0.02 1 717 . 64 ALA C C 174.741 0.1 1 718 . 64 ALA CA C 50.918 0.1 1 719 . 64 ALA CB C 27.146 0.1 1 720 . 64 ALA N N 125.128 0.1 1 721 . 65 SER H H 8.783 0.02 1 722 . 65 SER HA H 5.100 0.02 1 723 . 65 SER HB2 H 3.918 0.02 2 724 . 65 SER HB3 H 3.880 0.02 2 725 . 65 SER C C 174.042 0.1 1 726 . 65 SER CA C 56.120 0.1 1 727 . 65 SER CB C 66.256 0.1 1 728 . 65 SER N N 112.640 0.1 1 729 . 66 VAL H H 8.722 0.02 1 730 . 66 VAL HA H 4.160 0.02 1 731 . 66 VAL HB H 2.009 0.02 1 732 . 66 VAL HG2 H 0.917 0.02 1 733 . 66 VAL HG1 H 0.943 0.02 1 734 . 66 VAL C C 176.993 0.1 1 735 . 66 VAL CA C 64.222 0.1 1 736 . 66 VAL CB C 32.773 0.1 1 737 . 66 VAL CG2 C 23.179 0.1 1 738 . 66 VAL CG1 C 21.621 0.1 1 739 . 66 VAL N N 121.818 0.1 1 740 . 67 VAL H H 9.143 0.02 1 741 . 67 VAL HA H 4.131 0.02 1 742 . 67 VAL HB H 1.847 0.02 1 743 . 67 VAL HG1 H 0.894 0.02 2 744 . 67 VAL HG2 H 0.852 0.02 2 745 . 67 VAL C C 175.425 0.1 1 746 . 67 VAL CA C 62.579 0.1 1 747 . 67 VAL CB C 33.054 0.1 1 748 . 67 VAL CG1 C 21.626 0.1 1 749 . 67 VAL CG2 C 21.626 0.1 1 750 . 67 VAL N N 129.216 0.1 1 751 . 68 GLU H H 8.358 0.02 1 752 . 68 GLU HA H 4.404 0.02 1 753 . 68 GLU HB2 H 2.063 0.02 2 754 . 68 GLU HB3 H 1.956 0.02 2 755 . 68 GLU HG2 H 2.272 0.02 1 756 . 68 GLU HG3 H 2.272 0.02 1 757 . 68 GLU C C 175.731 0.1 1 758 . 68 GLU CA C 56.330 0.1 1 759 . 68 GLU CB C 31.400 0.1 1 760 . 68 GLU N N 123.710 0.1 1 stop_ save_